(4-nitrophenyl)methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanoate

Systemtic Name: (4-nitrophenyl)methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethanoate Openeye Name: (4-nitrophenyl)methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetate CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetic acid (4-nitrophenyl)methyl ester IUPAC Name: (4-nitrophenyl)methyl 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetate Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)acetic acid (4-nitrobenzyl) ester Formula: C18H18N2O8S MolecularWeight: 422.40912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)S(=O)(=O)NCC(=O)OCC3=CC=C(C=C3)[N+](=O)[O-])OC1

InChI

InChI=1S/C18H18N2O8S/c21-18(28-12-13-2-4-14(5-3-13)20(22)23)11-19-29(24,25)15-6-7-16-17(10-15)27-9-1-8-26-16/h2-7,10,19H,1,8-9,11-12H2